1IKX

K103N Mutant HIV-1 Reverse Transcriptase in Complex with the Inhibitor PNU142721

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	270
Detector technology	IMAGE PLATE
Collection date	2000-02-12
Detector	MARRESEARCH
Wavelength(s)	1.0159
Spacegroup name	C 2 2 21
Unit cell lengths	119.900, 156.400, 156.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.630 - 2.800
R-factor	0.21 *
Rwork	0.210
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.630	23.630
High resolution limit [Å]	2.800	2.800
Rmerge	0.075	0.374
Total number of observations	289120 *
Number of reflections	32921	3306 *
<I/σ(I)>	12.2
Completeness [%]	81.3	92.3 *
Redundancy	90.2	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.2	295	Ammonium sulphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	DMSO	30 (mM)
3	1	reservoir	ammonium sulfate	1.4 (M)
4	1	reservoir	HEPES	50 (mM)	pH7.2
5	1	reservoir		5 (mM)
6	1	reservoir		300 (mM)